N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine

C10H13N3S — CID 63990913

IUPACN-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESCNCc1cc(-c2sccc2C)n[nH]1
InChIInChI=1S/C10H13N3S/c1-7-3-4-14-10(7)9-5-8(6-11-2)12-13-9/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyNRCNAYXBNCUXTL-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.17
Rot. Bonds3

About N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine

N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 63990913) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID63990913
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESCNCc1cc(-c2sccc2C)n[nH]1
InChIInChI=1S/C10H13N3S/c1-7-3-4-14-10(7)9-5-8(6-11-2)12-13-9/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyNRCNAYXBNCUXTL-UHFFFAOYSA-N
XLogP2.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine (CID 63990913) is N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine is CNCc1cc(-c2sccc2C)n[nH]1.
What is the InChIKey of N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is NRCNAYXBNCUXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-3-4-14-10(7)9-5-8(6-11-2)12-13-9/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 207.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 63990913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).